8-(oxolan-2-ylmethylsulfanyl)quinoline

C14H15NOS — CID 5128598

IUPAC8-(oxolan-2-ylmethylsulfanyl)quinoline
SMILESc1cnc2c(SCC3CCCO3)cccc2c1
InChIInChI=1S/C14H15NOS/c1-4-11-5-2-8-15-14(11)13(7-1)17-10-12-6-3-9-16-12/h1-2,4-5,7-8,12H,3,6,9-10H2
InChIKeySWULGPDQQBEFAW-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.51
Rot. Bonds3

About 8-(oxolan-2-ylmethylsulfanyl)quinoline

8-(oxolan-2-ylmethylsulfanyl)quinoline (PubChem CID 5128598) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 8-(oxolan-2-ylmethylsulfanyl)quinoline.

Molecular Properties

Compound Name8-(oxolan-2-ylmethylsulfanyl)quinoline
PubChem CID5128598
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name8-(oxolan-2-ylmethylsulfanyl)quinoline
SMILESc1cnc2c(SCC3CCCO3)cccc2c1
InChIInChI=1S/C14H15NOS/c1-4-11-5-2-8-15-14(11)13(7-1)17-10-12-6-3-9-16-12/h1-2,4-5,7-8,12H,3,6,9-10H2
InChIKeySWULGPDQQBEFAW-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(oxolan-2-ylmethylsulfanyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 103678592
2-chloro-6-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495918
[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol
CID 106496659
3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol
CID 115826914
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
2-[[(2S)-oxolan-2-yl]methylsulfanyl]pyridine-3-carboxylic acid
CID 40605283
2-bromo-6-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494363
[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
CID 106494963
(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496640
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
(3S)-3-quinolin-8-ylsulfanyloxolan-2-one
CID 975510
2-[(3-chloro-2-nitrophenyl)sulfanylmethyl]oxolane
CID 106494838

Frequently Asked Questions

What is the IUPAC name of 8-(oxolan-2-ylmethylsulfanyl)quinoline?
The IUPAC name of 8-(oxolan-2-ylmethylsulfanyl)quinoline (CID 5128598) is 8-(oxolan-2-ylmethylsulfanyl)quinoline.
What is the SMILES notation for 8-(oxolan-2-ylmethylsulfanyl)quinoline?
The canonical SMILES for 8-(oxolan-2-ylmethylsulfanyl)quinoline is c1cnc2c(SCC3CCCO3)cccc2c1.
What is the InChIKey of 8-(oxolan-2-ylmethylsulfanyl)quinoline?
The InChIKey is SWULGPDQQBEFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-4-11-5-2-8-15-14(11)13(7-1)17-10-12-6-3-9-16-12/h1-2,4-5,7-8,12H,3,6,9-10H2.
What are the key properties of 8-(oxolan-2-ylmethylsulfanyl)quinoline?
8-(oxolan-2-ylmethylsulfanyl)quinoline has a molecular weight of 245.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolan-2-ylmethylsulfanyl)quinoline is sourced from PubChem (CID 5128598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).